Simulation studies of the protein-water interface. I. Properties at the molecular resolution (Q57831754)

Hydration of denatured and molten globule proteins

21 January 2018

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Conserved water molecules in a large family of microbial ribonucleases

21 January 2018

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Analysis of a Water Mediated Protein−Protein Interactions within RNase T1†,‡

21 January 2018

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Wet and dry interfaces: the role of solvent in protein-protein and protein-DNA recognition

21 January 2018

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Protein hydration in solution: experimental observation by x-ray and neutron scattering

21 January 2018

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Dynamics of protein and peptide hydration

21 January 2018

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Protein hydration dynamics in solution: a critical survey

21 January 2018

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Structure and dynamics of the water around myoglobin

21 January 2018

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Is the first hydration shell of lysozyme of higher density than bulk water?

21 January 2018

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A molecular dynamics study of solvent behavior around a protein.

21 January 2018

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Diffusion of solvent around biomolecular solutes: a molecular dynamics simulation study

21 January 2018

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Hydration of proteins. A comparison of experimental residence times of water molecules solvating the bovine pancreatic trypsin inhibitor with theoretical model calculations

21 January 2018

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Accurate simulation of protein dynamics in solution

21 January 2018

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The interdependence of protein surface topography and bound water molecules revealed by surface accessibility and fractal density measures

21 January 2018

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Residence times of water molecules in the hydration sites of myoglobin

21 January 2018

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Structural and dynamic properties of water around acetylcholinesterase

21 January 2018

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A global model of the protein-solvent interface

21 January 2018

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Simulation studies of the protein-water interface. II. Properties at the mesoscopic resolution

21 January 2018

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Just add water! The effect of water on the specificity of protein-ligand binding sites and its potential application to drug design

21 January 2018

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Bound water molecules and conformational stabilization help mediate an antigen-antibody association

21 January 2018

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Molecular dynamics study of water penetration in staphylococcal nuclease.

21 January 2018

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Statistical and molecular dynamics studies of buried waters in globular proteins

21 January 2018

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Structure of ubiquitin refined at 1.8 A resolution

21 January 2018

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Determination of the solution structure of Apo calbindin D9k by NMR spectroscopy

21 January 2018

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Physiological requirement for both SH2 domains for phospholipase C-gamma1 function and interaction with platelet-derived growth factor receptors

21 January 2018

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Nuclear magnetic resonance structure of an SH2 domain of phospholipase C-gamma 1 complexed with a high affinity binding peptide

21 January 2018

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Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features

21 January 2018

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Analysis of accessible surface of residues in proteins

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CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

21 January 2018

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All-atom empirical potential for molecular modeling and dynamics studies of proteins

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21 January 2018

The Protein Data Bank

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Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

21 January 2018

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Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

21 January 2018

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Canonical dynamics: Equilibrium phase-space distributions

21 January 2018

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Rationalization of the dielectric properties of common three-site water models in terms of their force field parameters

21 January 2018

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Comparison of simple potential functions for simulating liquid water

21 January 2018

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Non-symmetrical dielectric relaxation behaviour arising from a simple empirical decay function

21 January 2018

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Relationship between the time-domain Kohlrausch-Williams-Watts and frequency-domain Havriliak-Negami relaxation functions

21 January 2018

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Hydration in protein crystallography

21 January 2018

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Solvation energies of amino acid side chains and backbone in a family of host-guest pentapeptides.

21 January 2018

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Water rotational relaxation and diffusion in hydrated lysozyme

21 January 2018

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Solvation of large dipoles

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Surface topography dependence of biomolecular hydrophobic hydration

21 January 2018

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